SCHEMBL3898780

SCHEMBL3898780

Cc1ccc(-c2nc(N)cc(-c3ccc(C(F)(F)F)cc3)n2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.51
ADORA1 P30542 1/20 0.51
ADORA3 P0DMS8 2/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
SDHB P21912 1/20 0.46
LMNA P02545 2/20 0.44
THRB P10828 1/20 0.44
NPBWR1 P48145 1/20 0.43
HRH4 Q9H3N8 1/20 0.42
RAD51 Q06609 1/20 0.42
KDM4E B2RXH2 5/20 0.41
DPP4 P27487 1/20 0.41
NPY5R Q15761 1/20 0.41
KIF11 P52732 1/20 0.41
LTA4H P09960 1/20 0.40
ALDH1A1 P00352 2/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C19 P33261 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28071862 0.92 ADORA2A (0.59) ADORA2AADORA1ADORA3MEN1KMT2A
SCHEMBL3898550 0.86 ADORA2A (0.72) ADORA2AADORA1ADORA3MEN1KMT2A
SCHEMBL22234018 0.84 KIF11 (0.52) ADORA2AADORA1ADORA3LMNATHRB
SCHEMBL20860928 0.81 ADORA2A (0.79) ADORA2AADORA1MEN1KMT2ALMNA
SCHEMBL18538197 0.80 KIF11 (0.52) ADORA3LMNATHRBNPBWR1HRH4
SCHEMBL3910159 0.79 ADORA2A (0.53) ADORA2AADORA1ADORA3MEN1KMT2A
SCHEMBL691222 0.78 RAB9A (0.50) ADORA2AADORA1ADORA3MEN1KMT2A
SCHEMBL2088245 0.77 KIF11 (0.48) ADORA2AADORA3RAD51KDM4EKIF11
SCHEMBL28726697 0.77 SDHB (0.51) ADORA3MEN1KMT2ASDHBLMNA
SCHEMBL1841140 0.77 RAD51 (0.54) ADORA3SDHBLMNANPBWR1RAD51

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524874-B2 Vanilloid receptor ligands and their use in treatments AMGEN INC. (US) 2009-04-28 US disclosed
US-20050267163-A1 Vanilloid receptor ligands and their use in treatments AMGEN INC. 2005-12-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050267163-A1 Vanilloid receptor ligands and their use in treatments TRPV1, TRPV2, TRPV3 ADORA2A 1207/4885ADORA1 1800/4885ADORA3 1376/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.